Quantifying interfacial interactions between kerogen, water, and hydrocarbons across thermal maturity levels and their impact on fluid mobility
Bibliographic record
Abstract
Wettability of organic-rich mudrocks has significant impacts on multiphase fluid flow and hydrocarbon recovery. Since kerogen can constitute a significant volumetric fraction of mudrocks, the wettability of kerogen can considerably affect the wettability of organic-rich mudrocks. In a recent project, we showed using a combination of experimental methods and molecular simulation studies that kerogen type, thermal maturity, and reservoir temperature conditions affect the contact angle of water droplet on kerogen surface. This indicates that the wettability of kerogen is variable with its geochemistry and reservoir conditions. However, these studies do not consider the impact of having a third phase hydrocarbon in the reservoir system. Moreover, wettability affects the distribution of fluids in the porous media and the relative fluid mobility of reservoir fluids. However, the impact of kerogen wettability on fluid mobility is yet to be understood at a molecular level. Therefore, in this research project, we plan to use molecular dynamics (MD) simulations to determine the impact of kerogen geochemistry and reservoir conditions on three phase contact angles of water and hydrocarbon on kerogen surface. We also use MD simulations to determine the impact of wettability on mobility of fluids in kerogen pores. We use realistic molecular models of kerogen. The chemical structure and composition of these molecular models are verified against experimental data for kerogen including Fourier transform infrared (FTIR) measurements, X-ray photoelectron spectroscopy (XPS) measurements and X-ray fluorescence (XRF) measurements. The results obtained from MD simulation will be verified against experientially measured three-phase contact angles on kerogen surface. Furthermore, wettability of kerogen surface impacts the interaction between the fluid and the kerogen pores and, therefore, affects the relative permeability/mobility of different fluids in the kerogen pore space. In this work, we simulate water and oil transport through the kerogen pores of varying hydrophilicities by using MD simulations to determine the impact of kerogen wettability on the fluid mobilities.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".